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{
"id": "mp-757483",
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"structure_string": "Y24 O20 F32\n1.0\n5.613801 0.000000 0.000000\n0.000000 5.487384 0.000000\n0.000000 0.061688 33.536949\nY O F\n24 20 32\ndirect\n0.251793 0.710368 0.999958 Y\n0.248207 0.710368 0.499958 Y\n0.713495 0.722572 0.749290 Y\n0.786505 0.722572 0.249290 Y\n0.213190 0.707672 0.335766 Y\n0.261247 0.711389 0.664126 Y\n0.238753 0.711389 0.164126 Y\n0.286810 0.707672 0.835766 Y\n0.727938 0.703202 0.917898 Y\n0.722587 0.702280 0.582372 Y\n0.772062 0.703202 0.417898 Y\n0.777413 0.702280 0.082372 Y\n0.222587 0.297720 0.917628 Y\n0.272062 0.296798 0.082102 Y\n0.227938 0.296798 0.582102 Y\n0.277413 0.297720 0.417628 Y\n0.761247 0.288611 0.835874 Y\n0.713190 0.292328 0.164234 Y\n0.738753 0.288611 0.335874 Y\n0.786810 0.292328 0.664234 Y\n0.286505 0.277428 0.250710 Y\n0.213495 0.277428 0.750710 Y\n0.751793 0.289632 0.500042 Y\n0.748207 0.289632 0.000042 Y\n0.992229 0.536238 0.710483 O\n0.507771 0.536238 0.210483 O\n0.493211 0.531070 0.125179 O\n0.493117 0.530068 0.372541 O\n0.006789 0.531070 0.625179 O\n0.006883 0.530068 0.872541 O\n0.523446 0.515445 0.458141 O\n0.524283 0.515842 0.041784 O\n0.976554 0.515445 0.958141 O\n0.975717 0.515842 0.541784 O\n0.024283 0.484158 0.458216 O\n0.475717 0.484158 0.958216 O\n0.476554 0.484555 0.541859 O\n0.023446 0.484555 0.041859 O\n0.993117 0.469932 0.127459 O\n0.993211 0.468930 0.374821 O\n0.506883 0.469932 0.627459 O\n0.506789 0.468930 0.874821 O\n0.492229 0.463762 0.789517 O\n0.007771 0.463762 0.289517 O\n0.581833 0.973280 0.963511 F\n0.581918 0.974845 0.536610 F\n0.918167 0.973280 0.463511 F\n0.918082 0.974845 0.036610 F\n0.386468 0.946225 0.888673 F\n0.381215 0.943217 0.610572 F\n0.113532 0.946225 0.388673 F\n0.118785 0.943217 0.110572 F\n0.642110 0.908357 0.816274 F\n0.632149 0.908443 0.684919 F\n0.867851 0.908443 0.184919 F\n0.857890 0.908357 0.316274 F\n0.345976 0.893969 0.748769 F\n0.154024 0.893969 0.248769 F\n0.508149 0.547797 0.291718 F\n0.991851 0.547797 0.791718 F\n0.491851 0.452203 0.708282 F\n0.008149 0.452203 0.208282 F\n0.654024 0.106031 0.251231 F\n0.845976 0.106031 0.751231 F\n0.132149 0.091557 0.815081 F\n0.357890 0.091643 0.183726 F\n0.142110 0.091643 0.683726 F\n0.367851 0.091557 0.315081 F\n0.618785 0.056783 0.389428 F\n0.881215 0.056783 0.889428 F\n0.613532 0.053775 0.111327 F\n0.886468 0.053775 0.611327 F\n0.081918 0.025155 0.963390 F\n0.081833 0.026720 0.536489 F\n0.418082 0.025155 0.463390 F\n0.418167 0.026720 0.036489 F\n",
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"formula_full": "Y24 O20 F32",
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"formula_anonymous": "A5B6C8",
"energy": -639.89632533,
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"spacegroup": 14
},
{
"id": "mp-757482",
"created_at": "2022-09-04T14:40:24.095106Z",
"structure_string": "Li4 Mn4 Si10 O26\n1.0\n7.597757 0.000000 0.000000\n2.402724 7.438508 0.000000\n3.686152 0.025179 9.305481\nLi Mn Si O\n4 4 10 26\ndirect\n0.210171 0.070526 0.847243 Li\n0.153683 0.400747 0.744064 Li\n0.846317 0.599253 0.255936 Li\n0.789829 0.929474 0.152757 Li\n0.039766 0.158936 0.599988 Mn\n0.419169 0.824550 0.400403 Mn\n0.580831 0.175450 0.599597 Mn\n0.960234 0.841064 0.400012 Mn\n0.159988 0.220914 0.257892 Si\n0.210219 0.694806 0.042324 Si\n0.310596 0.447081 0.407587 Si\n0.251063 0.757516 0.732761 Si\n0.623557 0.704952 0.047455 Si\n0.376443 0.295048 0.952545 Si\n0.748937 0.242484 0.267239 Si\n0.689404 0.552919 0.592413 Si\n0.789781 0.305194 0.957676 Si\n0.840012 0.779086 0.742108 Si\n0.015318 0.769808 0.179181 O\n0.168486 0.052075 0.368497 O\n0.304771 0.163037 0.091105 O\n0.214180 0.387342 0.303061 O\n0.065451 0.681354 0.747669 O\n0.406166 0.690671 0.071844 O\n0.222937 0.663954 0.428412 O\n0.283046 0.318050 0.549266 O\n0.551913 0.413364 0.316019 O\n0.370749 0.221474 0.810663 O\n0.220008 0.497463 0.993929 O\n0.273363 0.926911 0.625507 O\n0.209128 0.825694 0.896857 O\n0.790872 0.174306 0.103143 O\n0.726637 0.073089 0.374493 O\n0.779992 0.502537 0.006071 O\n0.629251 0.778526 0.189337 O\n0.448087 0.586636 0.683981 O\n0.716954 0.681950 0.450734 O\n0.777063 0.336046 0.571588 O\n0.593834 0.309329 0.928156 O\n0.934549 0.318646 0.252331 O\n0.785820 0.612658 0.696939 O\n0.695229 0.836963 0.908895 O\n0.831514 0.947925 0.631503 O\n0.984682 0.230192 0.820819 O\n",
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"elements": [
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"density": 2.981773068074712,
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"volume": 525.9083429726685,
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"formula_full": "Li4 Mn4 Si10 O26",
"formula_reduced": "Li2Mn2Si5O13",
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{
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"created_at": "2022-09-04T14:42:44.447644Z",
"structure_string": "Li8 Fe4 P8 O28\n1.0\n5.163419 0.000000 0.000000\n0.000000 8.059752 0.000000\n0.000000 5.387978 13.261393\nLi Fe P O\n8 4 8 28\ndirect\n0.211854 0.969977 0.676825 Li\n0.288146 0.969977 0.176825 Li\n0.748516 0.425494 0.838345 Li\n0.248516 0.574506 0.661655 Li\n0.751484 0.425494 0.338345 Li\n0.251484 0.574506 0.161655 Li\n0.711854 0.030023 0.823175 Li\n0.788146 0.030023 0.323175 Li\n0.283478 0.720701 0.878564 Fe\n0.216522 0.720701 0.378564 Fe\n0.783478 0.279299 0.621436 Fe\n0.716522 0.279299 0.121436 Fe\n0.716461 0.814865 0.693279 P\n0.719516 0.705779 0.522454 P\n0.783539 0.814865 0.193279 P\n0.219516 0.294221 0.977546 P\n0.780484 0.705779 0.022454 P\n0.216461 0.185135 0.806721 P\n0.280484 0.294221 0.477546 P\n0.283539 0.185135 0.306721 P\n0.251615 0.996271 0.804961 O\n0.248385 0.996271 0.304961 O\n0.655702 0.793725 0.919034 O\n0.766564 0.851809 0.574940 O\n0.433449 0.751764 0.716341 O\n0.915940 0.680870 0.757464 O\n0.425630 0.679308 0.517542 O\n0.844298 0.793725 0.419034 O\n0.733436 0.851809 0.074940 O\n0.364782 0.462133 0.908382 O\n0.066551 0.751764 0.216341 O\n0.584060 0.680870 0.257464 O\n0.864782 0.537867 0.591618 O\n0.074370 0.679308 0.017542 O\n0.925630 0.320692 0.982458 O\n0.135218 0.462133 0.408382 O\n0.415940 0.319130 0.742536 O\n0.933449 0.248236 0.783659 O\n0.635218 0.537867 0.091618 O\n0.266564 0.148191 0.925060 O\n0.155702 0.206275 0.580966 O\n0.574370 0.320692 0.482458 O\n0.084060 0.319130 0.242536 O\n0.566551 0.248236 0.283659 O\n0.233436 0.148191 0.425060 O\n0.344298 0.206275 0.080966 O\n0.751615 0.003729 0.695039 O\n0.748385 0.003729 0.195039 O\n",
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"formula_full": "Li8 Fe4 P8 O28",
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{
"id": "mp-757480",
"created_at": "2022-09-04T14:45:21.154423Z",
"structure_string": "Ti5 Pb5 O14\n1.0\n6.026329 0.000000 0.000000\n0.807092 7.097870 0.000000\n2.615927 1.577884 8.055901\nTi Pb O\n5 5 14\ndirect\n0.776689 0.697641 0.401151 Ti\n0.163620 0.310240 0.596743 Ti\n0.384857 0.088407 0.205099 Ti\n0.986983 0.480560 0.010195 Ti\n0.607458 0.868187 0.814053 Ti\n0.358270 0.570667 0.208254 Pb\n0.174031 0.783434 0.615204 Pb\n0.551259 0.347336 0.799933 Pb\n0.731121 0.174056 0.437360 Pb\n0.971791 0.974242 0.016878 Pb\n0.153611 0.931844 0.281527 O\n0.240266 0.322926 0.085348 O\n0.633010 0.926686 0.288390 O\n0.026219 0.529190 0.485542 O\n0.536719 0.548060 0.476125 O\n0.750527 0.331359 0.087076 O\n0.147826 0.425829 0.783601 O\n0.346778 0.743399 0.878832 O\n0.344116 0.231414 0.387411 O\n0.947663 0.633689 0.183154 O\n0.740271 0.835637 0.585667 O\n0.851449 0.722071 0.888123 O\n0.969598 0.120571 0.689075 O\n0.543966 0.027954 0.982558 O\n",
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"formula_full": "Ti5 Pb5 O14",
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{
"id": "mp-757479",
"created_at": "2022-09-04T14:44:30.054936Z",
"structure_string": "Li2 Sn1 P6 O18\n1.0\n7.590794 0.000000 0.000000\n-3.221289 6.943461 0.000000\n-1.499617 -3.096292 6.875170\nLi Sn P O\n2 1 6 18\ndirect\n0.516221 0.962522 0.423329 Li\n0.720672 0.866659 0.164570 Li\n0.242088 0.095178 0.831004 Sn\n0.964985 0.296209 0.732476 P\n0.316855 0.679885 0.790055 P\n0.225881 0.281401 0.505212 P\n0.815342 0.740699 0.514767 P\n0.006579 0.687738 0.223670 P\n0.670035 0.318092 0.231775 P\n0.103657 0.274229 0.892089 O\n0.471687 0.710578 0.960909 O\n0.079988 0.544666 0.777286 O\n0.741601 0.207428 0.696815 O\n0.349319 0.229432 0.650481 O\n0.001890 0.202237 0.532297 O\n0.333785 0.875875 0.760782 O\n0.933780 0.846041 0.738144 O\n0.319255 0.535004 0.590850 O\n0.203500 0.193859 0.300960 O\n0.704552 0.487496 0.439407 O\n0.639991 0.121825 0.251527 O\n0.009893 0.799855 0.444481 O\n0.667851 0.801296 0.432295 O\n0.226509 0.751341 0.249209 O\n0.881821 0.437714 0.198708 O\n0.492340 0.299992 0.075052 O\n0.866857 0.718518 0.087413 O\n",
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"formula_full": "Li2 Sn1 P6 O18",
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"spacegroup": 1
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{
"id": "mp-757478",
"created_at": "2022-09-04T14:48:12.496739Z",
"structure_string": "Li4 Mn3 Cr3 Fe2 O16\n1.0\n2.912755 5.061534 0.000000\n-2.912755 5.061534 0.000000\n0.000000 0.065967 9.542608\nLi Mn Cr Fe O\n4 3 3 2 16\ndirect\n0.668873 0.668873 0.892431 Li\n0.996862 0.996862 0.997819 Li\n0.998052 0.998052 0.496203 Li\n0.333721 0.333721 0.392052 Li\n0.829942 0.829942 0.215652 Mn\n0.169987 0.659545 0.715678 Mn\n0.659545 0.169987 0.715678 Mn\n0.340270 0.827787 0.213503 Cr\n0.827787 0.340270 0.213503 Cr\n0.169142 0.169142 0.715059 Cr\n0.664357 0.664357 0.492583 Fe\n0.332063 0.332063 0.994757 Fe\n0.323438 0.833038 0.602393 O\n0.517723 0.517723 0.332416 O\n0.671690 0.671690 0.105964 O\n0.995901 0.995901 0.309329 O\n0.996099 0.996099 0.810192 O\n0.833038 0.323438 0.602393 O\n0.519203 0.962515 0.332954 O\n0.962515 0.519203 0.332954 O\n0.159626 0.159626 0.103767 O\n0.836607 0.836607 0.605174 O\n0.038996 0.483344 0.832683 O\n0.483344 0.038996 0.832683 O\n0.337239 0.337239 0.609288 O\n0.161426 0.671459 0.103397 O\n0.481404 0.481404 0.833337 O\n0.671459 0.161426 0.103397 O\n",
"nsites": 28,
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"formula_full": "Li4 Mn3 Cr3 Fe2 O16",
"formula_reduced": "Li4Mn3Cr3(FeO8)2",
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"energy": -217.98026052,
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{
"id": "mp-757477",
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"structure_string": "Li4 Mn1 V3 P4 O16\n1.0\n6.150411 0.000000 0.000000\n0.000000 4.779277 0.000000\n0.000000 0.002742 10.541778\nLi Mn V P O\n4 1 3 4 16\ndirect\n0.250755 0.000040 0.999695 Li\n0.749245 0.000040 0.999695 Li\n0.751073 0.500634 0.499067 Li\n0.248927 0.500634 0.499067 Li\n0.500000 0.022358 0.720205 Mn\n0.500000 0.482143 0.223761 V\n0.000000 0.517752 0.777214 V\n0.000000 0.983010 0.275394 V\n0.000000 0.085402 0.592891 P\n0.000000 0.414715 0.093288 P\n0.500000 0.585223 0.908702 P\n0.500000 0.913898 0.405778 P\n0.000000 0.205885 0.456204 O\n0.200591 0.220555 0.662880 O\n0.799409 0.220555 0.662880 O\n0.500000 0.236064 0.403315 O\n0.500000 0.262988 0.904533 O\n0.200916 0.279314 0.162959 O\n0.799084 0.279314 0.162959 O\n0.000000 0.293571 0.956547 O\n0.500000 0.707894 0.045280 O\n0.700891 0.718666 0.838933 O\n0.299109 0.718666 0.838933 O\n0.000000 0.736669 0.097091 O\n0.000000 0.763319 0.596990 O\n0.701309 0.779309 0.336585 O\n0.298691 0.779309 0.336585 O\n0.500000 0.792076 0.542567 O\n",
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"formula_full": "Li4 Mn1 V3 P4 O16",
"formula_reduced": "Li4MnV3(PO4)4",
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{
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